4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline

C19H23N — CID 155670658

IUPAC4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccccc1C1CCNc2ccccc21
InChIInChI=1S/C19H23N/c1-19(2,3)17-10-6-4-8-15(17)14-12-13-20-18-11-7-5-9-16(14)18/h4-11,14,20H,12-13H2,1-3H3
InChIKeyNQAWCTHRDHQGQE-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.93
Rot. Bonds1

About 4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline

4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 155670658) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
PubChem CID155670658
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC Name4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccccc1C1CCNc2ccccc21
InChIInChI=1S/C19H23N/c1-19(2,3)17-10-6-4-8-15(17)14-12-13-20-18-11-7-5-9-16(14)18/h4-11,14,20H,12-13H2,1-3H3
InChIKeyNQAWCTHRDHQGQE-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline (CID 155670658) is 4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1ccccc1C1CCNc2ccccc21.
What is the InChIKey of 4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is NQAWCTHRDHQGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N/c1-19(2,3)17-10-6-4-8-15(17)14-12-13-20-18-11-7-5-9-16(14)18/h4-11,14,20H,12-13H2,1-3H3.
What are the key properties of 4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline?
4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 265.40 g/mol, XLogP of 4.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-tert-butylphenyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 155670658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).